Compound Identification
SMILES
CON=C(C1=CC=CC=C1)C1=CC2=C(C=C1)N(CCOC1=CC=C(CC(C(O)=O)C(=O)OC)C=C1)C(=O)S2
InChIKey
InChIKey=FIIPRWSELXWVFB-UHFFFAOYSA-N
Formula
C28H26N2O7S
Mass
534.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Benzothiazoles Phenoxy compounds Phenol ethers Fatty acid esters Alkyl aryl ethers Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Thiazoles Methyl esters Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - 1,3-benzothiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Azole - Thiazole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available